N-cyclobutyl-2,3,6-trimethyl-4,5-dinitro-aniline

Systemtic Name: N-cyclobutyl-2,3,6-trimethyl-4,5-dinitro-aniline Openeye Name: N-cyclobutyl-2,3,6-trimethyl-4,5-dinitro-aniline CAS Name: N-cyclobutyl-2,3,6-trimethyl-4,5-dinitroaniline IUPAC Name: N-cyclobutyl-2,3,6-trimethyl-4,5-dinitroaniline Traditional Name: cyclobutyl-(2,3,6-trimethyl-4,5-dinitro-phenyl)amine Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1NC2CCC2)C)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=C(C(=C1NC2CCC2)C)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C13H17N3O4/c1-7-8(2)12(15(17)18)13(16(19)20)9(3)11(7)14-10-5-4-6-10/h10,14H,4-6H2,1-3H3